2-(3,5-Di-tert-butyl-2-hydroxy-phenyl)-benzooxazole-5-carbonitrile | 357156-66-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(3,5-Di-tert-butyl-2-hydroxy-phenyl)-benzooxazole-5-carbonitrile
• CAS: 357156-66-2
• 化学式: C₂₂H₂₄N₂O₂
• 分子量: 348.445
• InChiKey: VNOKDMRCHHVXHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.67
• 重原子数：
  26.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  70.05
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(3,5-Di-tert-butyl-2-hydroxy-phenyl)-benzooxazole-5-carbonitrile 在 盐酸 、 乙醇 、 氨 作用下， 以 乙醇 为溶剂， 生成 2-(3,5-Di-tert-butyl-2-hydroxy-phenyl)-benzooxazole-5-carboxamidine
  参考文献：
  名称：

  Amidino benzimidazole inhibitors of bacterial two-component systems

  摘要：

  Amidino benzimidazoles have been identified as inhibitors of the bacterial KinA/Spo0F two-component system (TCS). Many of these inhibitors exhibit good in vitro antibacterial activity against a variety of susceptible and resistant Gram-positive organisms. The moiety at the 2-position of the benzimidazole was extensively modified. In addition, the regioisomeric benzoxazoles, heterocyclic replacements for the benzimidazole, have been synthesized and their activity against the TCS evaluated. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00024-5
• 作为产物：
  描述：

  4-羟基-3-硝基苯甲腈 在 palladium on activated charcoal 、 甲酸铵 、 4-甲基苯磺酸吡啶 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 xylene 为溶剂， 生成 2-(3,5-Di-tert-butyl-2-hydroxy-phenyl)-benzooxazole-5-carbonitrile
  参考文献：
  名称：

  Amidino benzimidazole inhibitors of bacterial two-component systems

  摘要：

  Amidino benzimidazoles have been identified as inhibitors of the bacterial KinA/Spo0F two-component system (TCS). Many of these inhibitors exhibit good in vitro antibacterial activity against a variety of susceptible and resistant Gram-positive organisms. The moiety at the 2-position of the benzimidazole was extensively modified. In addition, the regioisomeric benzoxazoles, heterocyclic replacements for the benzimidazole, have been synthesized and their activity against the TCS evaluated. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00024-5